自扩散系数

普遍化的基于LJ流体的自扩散系数预测模型

Generalized predictive self-diffusion coefficient equation based on Lennard-Jones fluid

提出一种可同时直接测量高极化核自旋体系分子间n阶多量子相干横向弛豫时间T2，n和自扩散系数Dn的一维核磁共振方法。

Simultaneous measurements of transverse relaxation time , T_ ( 2 , n ), and self-diffusion coefficient , D_n , of intermolecular multiple quantum coherences ( iMQCs ) were presented for a highly polarized single-component spin system .

自扩散系数和弛豫速率测定的NMR新方法研究

New NMR Methods for Determination of Self-Diffusion Coefficient and Relaxation Times

PAN为基凝胶聚合物电解质自扩散系数的NMR研究

NMR studies on self diffusion coefficients of lithium ions in PAN based gel

用加脉冲梯度场的NMR自旋回波法测量高分子聚合过程中的自扩散系数

Self-Diffusion Coefficients of Polymer in Polymerization Measured with Pulsed Field-Gradient NMR Spin Echo Methods

应用脉冲梯度场NMR研究脂蛋白的自扩散系数分布

Study of diffusion coefficient distribution of lipoproteins by pulse-field-gradient ( pfg ) - nmr

从实测数据，用数值法与图解法求得Na~+的自扩散系数D（Na）~。

The Na ~ + self diffusion coefficient D_ ( Na ) ~ , was numerically and graphically evaluated from the measured diffusion profile .

一种新的Lennard-Jones链式流体自扩散系数计算公式

A New Formula of Predicting Self-Diffusion Coefficient of Lennard-Jones Chain Fluid

本文研究了EDTA溶液中稀土在大孔树脂内的扩散，用同位素交换法测定了ce，Tb、Yb的有效粒内自扩散系数（De）。

The self - diffusion of RE isotopes in porous cation exchangers with various radius and in several MR-type resins around by EDTA bulk solutions of rare earths was studied .

采用分子动力学（MD）模拟的方法，计算了模型流体氩及氩/氪溶液的自扩散系数和互扩散系数。

Molecular dynamics simulations were carried out for mixtures of Lennard-Jones fluids . Self-diffusion coefficients and mutual diffusion coefficients were obtained for Ar and Ar / Kr mixture .

对于水（包括超临界水）、醇类和HF等流体在宽广的压力和温度范围内，使用实验数据对本方程进行检验，其自扩散系数的相对平均偏差在7.5%左右。

The equation reproduces the experimental self-diffusion coefficient with average relative error of about 7.5 % for water ( including the super-critical water ), alcohols and hydrogen fluoride over wide ranges of temperature and pressure .

本文采用EAM作用势，通过平衡分子动力学（EMD）模拟的方法计算了Co熔体的自扩散系数、剪切粘度等物理性质。

The equilibrium molecular dynamics ( EMD ) simulation has been performed to calculate physical properties such as self-diffusion coefficient and shear viscosity of Co melt using embedded atom method ( EAM ) .

由自扩散系数分析得到，SDNS胶束的水合半径约为其单体水合半径的5.3倍。

The hydration radius of SDNS micelle is approximate 5.3 times of that of monomer by NMR diffusion .

通过对模型溶液的分子动力学模拟，确定了这些溶液的径向分布函数，自扩散系数D1、D2和互扩散系数D12。

Molecular dynamics simulations have been used to determine the radial distribution functions , the self diffusion coefficients D 1 , D 2 and the mutual diffusion coefficient D 12 of model solutions .

扩散排序核磁共振（Diffusion-orderedSpectroscopy，DOSY）目前是测量溶液中样品的自扩散系数D的一个重要方法，在超分子、分子自组装、分子探针、主客体识别等方面的研究中得到广泛应用。

Diffusion-Ordered Spectroscopy NMR ( DOSY-NMR ) is an important method now for the determination of self-diffusion coefficient , which have now been widely used in different areas of supermolecule , molecular self-assembly , molecular probe and host-guest recognition .

自扩散系数随温度增加而增大。

The diffusion coefficients increased linearly with the increase of temperature .

同时还模拟了流体自扩散系数随温度的变化关系。

The relation of diffusion coefficient with temperature has also been simulated .

用渗流理论计算高分子溶液中溶剂的自扩散系数

Calculation of Solvent Self diffusion Coefficient in Polymer Solution by Percolation Theory

分子间多量子相干横向驰豫时间和自扩散系数的研究

Study on Transverse Relaxation Time and Self-Diffusion Coefficient of Intermolecular Multiple Quantum Coherences

高压下长链分子的自扩散系数研究

Study on the Self-Diffusion Coefficient for the Long Chain Molecules under High Pressures

液体分子自扩散系数的预测

Prediction of Self-diffusion Coefficients of Molecules in Liquids

缔合型链式硬球自扩散系数方程

Associating Hard Sphere Chain Equation for Self-diffusion Coefficient

钙长石成分熔体粘滞度和自扩散系数压力效应的分子动力学研究

Pressure dependence of viscosity and self-diffusion in CaAl_2Si_2O_8 melt : A molecular dynamics study

相对于溶剂互扩散系数而言，溶剂自扩散系数的预测精度更高。

This calculation also showed better accuracy for solvent self-diffusion coefficients than mutual-diffusion coefficients .

根据各体系自扩散系数随温度的突变，确定了各混合体系的相变温度点。

Phase temperatures of these systems are gained by self-diffusion coefficient changing along with temperature .

L-J流体自扩散系数及其与温度关系的分子动力学模拟

Molecular dynamics simulation of self-diffusion coefficient and its relation with temperature using simple Lennard-Jones potential

一种同时测量分子间多量子相干横向弛豫时间和自扩散系数的快速方法

Simultaneous Measurements of Transverse Relaxation Time and Self-diffusion Coefficient of Intermolecular Multiple Quantum Coherences in NMR

应用链式硬球模型计算流体的自扩散系数

Atmospheric diffusion model used in EIA calculation of self-diffusion coefficient by the hard sphere chain equation

自扩散系数的自动测量

The automatic measurement of self-diffusion coefficients

在Na/Mg-蒙脱石中，Na+和Mg2+的扩散方式不同，Na+的扩散范围相对更广，自扩散系数更大。

Comparatively , Na + has a wider diffusion range and higher self-diffusion coefficient than Mg2 + .